论文标题
ge $ _ {x} $ ga $ _ {x} $ te $ _ {100-2x} $玻璃的短范围顺序和拓扑
Short range order and topology of Ge$_{x}$Ga$_{x}$Te$_{100-2x}$ glasses
论文作者
论文摘要
中Neutron-和X射线衍射以及GE和GA K-K-EDGED Extended Extended X射线吸收量（EXAF）测量的化学短范围顺序和GE $ _ {x} $ ga $ _ {x} $ te $ _ {100-2X} $玻璃。大规模结构模型是通过与反向蒙特卡洛模拟技术同时拟合实验数据集获得的。模型仅依靠实验数据和基本物理信息而不限制平均配位数，在GE原子的第一个配位球体中的原子数为3.9-4.1，而GA原子的第一个邻居的平均邻居数量散布在3.8左右。 Te原子的平均配位数明显高于$ x $ = 12.5和14.3的2个。发现绝大多数MTE $ _4 $（M = GE或GA）四面体至少有一个角落共享MTE $ _4 $ neighbor。
Chemical short range order and topology of Ge$_{x}$Ga$_{x}$Te$_{100-2x}$ glasses was investigated by neutron- and x-ray diffraction as well as Ge and Ga K-edge extended x-ray absorption fine structure (EXAFS) measurements. Large scale structural models were obtained by fitting experimental datasets simultaneously with the reverse Monte Carlo simulation technique. Models, relying only on experimental data and basic physical information without constraining the average coordination numbers, give 3.9 - 4.1 for the number of the atoms in the first coordination sphere of Ge atoms, while the average number of first neighbors of Ga atoms scatters around 3.8. The average coordination number of Te atoms is significantly higher than 2 for $x$ = 12.5 and 14.3. It is found that the vast majority of MTe$_4$ (M=Ge or Ga) tetrahedra have at least one corner sharing MTe$_4$ neighbor.
